Cheng S, Musiał M, Wojnarowska Z, Paluch M
Institute of Physics, Silesian Center for Education and Interdisciplinary Research, University of Silesia in Katowice, 75 Pułku Piechoty 1A, 41-500 Chorzów, Poland.
J Chem Phys. 2020 Mar 7;152(9):091101. doi: 10.1063/1.5140569.
In this communication, the Adam-Gibbs model connecting molecular dynamics with configurational entropy is tested for the first time for ionic liquids. For this purpose, we investigate simultaneously the shear viscosity η and configurational entropy S of an aprotic ionic liquid: 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMIm TFSI). Comparing the S data obtained by the combination of Vogel-Fulcher-Tammann and Adam-Gibbs equations to the S points determined directly from the calorimetric experiment, good agreement is found in the entire supercooled liquid region. These results indicate the validity of the Adam-Gibbs model in materials with electrostatic interactions being dominated. These important findings not only generalize the applications of the Adam-Gibbs theory but also provide an opportunity to gain insight into the relationship between thermodynamics and molecular dynamics in ionic liquids.
在本通讯中,首次对将分子动力学与构型熵联系起来的亚当 - 吉布斯模型用于离子液体进行了测试。为此,我们同时研究了一种非质子离子液体:1-丁基-3-甲基咪唑双(三氟甲基磺酰)亚胺(BMIm TFSI)的剪切粘度η和构型熵S。将通过Vogel-Fulcher-Tammann和亚当 - 吉布斯方程组合得到的S数据与直接从量热实验确定的S点进行比较,发现在整个过冷液体区域都有良好的一致性。这些结果表明亚当 - 吉布斯模型在以静电相互作用为主导的材料中的有效性。这些重要发现不仅推广了亚当 - 吉布斯理论的应用,还为深入了解离子液体中热力学与分子动力学之间的关系提供了契机。